SCHEMBL19677536

SCHEMBL19677536

CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CP)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.74
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ VDR P11473 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL868711 0.92 AR (0.85) ARHTTHIF1AKMT2ATSHR
SCHEMBL12363856 0.92 AR (0.85) ARHTTHIF1AKMT2ATSHR
SCHEMBL12570312 0.91 AR (0.82) ARHTTHIF1AKMT2ATSHR
SCHEMBL19677336 0.88 AR (0.74) ARHTTHIF1AKMT2ATSHR
SCHEMBL12267331 0.88 AR (0.74) ARHTTHIF1AKMT2ATSHR
SCHEMBL11658489 0.88 AR (0.78) ARHTTHIF1AKMT2ATSHR
SCHEMBL16226561 0.86 AR (0.76) ARHTTHIF1AKMT2ATSHR
SCHEMBL13513140 0.86 AR (0.76) ARHTTHIF1AKMT2ATSHR
SCHEMBL19482753 0.86 AR (0.76) ARHTTHIF1AKMT2ATSHR
SCHEMBL5250019 0.86 AR (0.76) ARHTTHIF1AKMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252032-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2017-12-06 — — EP disclosed
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